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Tolterodine EP Impurity A

CAT: 1299-RM-T201803-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T201803-01Size:10 mg
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CAS Number
124937-73-1
Synonyms
3-Phenyl-3- (2-methoxy-5-methylphenyl) propanol
Molecular Formula
C17H20O2
Molecular Weight
256.34
Target Alternative Name
Tolterodine
Product Name Synonym
3-Phenyl-3- (2-methoxy-5-methylphenyl) propanol

Chemical Information

(3RS)-3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol
CAS Number124937-73-1
PubChem CID11161175
IUPAC Name3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-ol
Molecular FormulaC17H20O2
Molecular Weight256.34
XLogP3.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity248
SMILES
CC1=CC(=C(C=C1)OC)C(CCO)C2=CC=CC=C2
InChI
InChI=1S/C17H20O2/c1-13-8-9-17(19-2)16(12-13)15(10-11-18)14-6-4-3-5-7-14/h3-9,12,15,18H,10-11H2,1-2H3
InChIKey
OCGTUTJXBDQGKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3RS)-3-(2-Methoxy-5-methylphenyl)-3-phenylpropan-1-ol
CAS: 124937-73-1
CID: 11161175
Formula: C17H20O2
MW: 256.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.34
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass256.146329876
Monoisotopic Mass256.146329876
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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